Molecule

Cryptophycin 29

AlkaPlorer ID: AK293288

Synonym: None

IUPAC Name: 10-[(3-chloro-4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-(4-phenylbut-3-en-2-yl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Structure

SMILES: COC1=CC=C(CC2N=C(O)C=CCC(C(C)C=CC3=CC=CC=C3)OC(=O)C(CC(C)C)OC(=O)CCN=C2O)C=C1Cl

InChI: InChI=1S/C34H41ClN2O7/c1-22(2)19-30-34(41)44-28(23(3)13-14-24-9-6-5-7-10-24)11-8-12-31(38)37-27(33(40)36-18-17-32(39)43-30)21-25-15-16-29(42-4)26(35)20-25/h5-10,12-16,20,22-23,27-28,30H,11,17-19,21H2,1-4H3,(H,36,40)(H,37,38)

InChIKey: XFXOMGLTDWTPTP-UHFFFAOYSA-N

Reference

Structure determination, conformational analysis, chemical stability studies, and antitumor evaluation of the cryptophycins. Isolation of 18 new analogs from Nostoc sp. strain GSV 224

PubChem CID: 72804315

LOTUS: LTS0133003

COCONUT: CNP0290117.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Nostoc sp. ATCC 53789	Nostoc	Nostocaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 625.1620000000003

TPSA？: 127.01000000000002

MolLogP？: 6.741900000000007

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi